Metabolomics Structure Database

 
MW REGNO: 41421
Common Name:5-Taurinomethyl-2-thiouridine
Systematic Name:2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
397.0614 (neutral)    Calculate m/z:
Formula:C12H19N3O8S2
InChIKey:XMIFBEZRFMTGRL-NHSUTOTLSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleosides [C0000480]
ClassyFire subclass:Pyrimidine nucleosides [C0000480]
ClassyFire direct parent:Aromatic heteromonocyclic compounds
SMILES:OC[C@@H]1O[C@@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S
Studies:Available studies(via PubChem CID)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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